>compound Pyridoxal 5'-phosphate_Pyridoxal 5'-phosphate
#instrument UPLC Q-Tof Premier, Waters
>formula C8H10NO6P
#smiles O=Cc(c(O)1)c(cnc(C)1)COP(O)(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100274.txt;LC-ESI-QTOF_train_data/PR100698.txt;LC-ESI-QTOF_train_data/PR100292.txt;LC-ESI-QTOF_train_data/PR100723.txt
>charge 1
>ionization [M+H]+
>parentmass 248.03237

>collision 5-60
67.0549 34.86
94.0657 74.62
122.0602 66.93
150.0556 236.6
248.0324 87.09

>collision 5-60
78.9597 246.5
96.9695 347.4
246.0168 46.08

>collision 5-60
67.0547 35.67
94.0658 90.13
122.0605 69.95
150.0559 249.5
248.0324 90.43

>collision 5-60
78.96 239.2
96.9697 346.8
246.0168 41.16

